(1-ethoxycyclohexyl)-(3-propylphenyl)methanone

C18H26O2 — CID 116748314

IUPAC(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2(OCC)CCCCC2)c1
InChIInChI=1S/C18H26O2/c1-3-9-15-10-8-11-16(14-15)17(19)18(20-4-2)12-6-5-7-13-18/h8,10-11,14H,3-7,9,12-13H2,1-2H3
InChIKeyOBNWEKFRWIIPNA-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.56
Rot. Bonds6

About (1-ethoxycyclohexyl)-(3-propylphenyl)methanone

(1-ethoxycyclohexyl)-(3-propylphenyl)methanone (PubChem CID 116748314) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
PubChem CID116748314
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2(OCC)CCCCC2)c1
InChIInChI=1S/C18H26O2/c1-3-9-15-10-8-11-16(14-15)17(19)18(20-4-2)12-6-5-7-13-18/h8,10-11,14H,3-7,9,12-13H2,1-2H3
InChIKeyOBNWEKFRWIIPNA-UHFFFAOYSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
CID 116748270
(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 114521280
(1-ethoxycyclohexyl)-(4-ethylphenyl)methanone
CID 116748429
(3-ethylphenyl)-(1-methoxycyclopentyl)methanone
CID 104610223
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
(3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 116543351
(2-methyloxolan-2-yl)-(3-propylphenyl)methanone
CID 116543391
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
(1-ethoxycycloheptyl)-(4-fluoro-3-methylphenyl)methanone
CID 116750796
6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone
CID 115812266
(1-phenylcyclopropyl)-(3-propylphenyl)methanone
CID 116543203
(2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone
CID 116608201

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-(3-propylphenyl)methanone?
The IUPAC name of (1-ethoxycyclohexyl)-(3-propylphenyl)methanone (CID 116748314) is (1-ethoxycyclohexyl)-(3-propylphenyl)methanone.
What is the SMILES notation for (1-ethoxycyclohexyl)-(3-propylphenyl)methanone?
The canonical SMILES for (1-ethoxycyclohexyl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)C2(OCC)CCCCC2)c1.
What is the InChIKey of (1-ethoxycyclohexyl)-(3-propylphenyl)methanone?
The InChIKey is OBNWEKFRWIIPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-9-15-10-8-11-16(14-15)17(19)18(20-4-2)12-6-5-7-13-18/h8,10-11,14H,3-7,9,12-13H2,1-2H3.
What are the key properties of (1-ethoxycyclohexyl)-(3-propylphenyl)methanone?
(1-ethoxycyclohexyl)-(3-propylphenyl)methanone has a molecular weight of 274.40 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-(3-propylphenyl)methanone is sourced from PubChem (CID 116748314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).